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SrHAsO4.H2O |
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Jimenez A, Prieto M, Salvado M A, Garcia-Granda S |
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American Mineralogist 89 (2004) 601-609 |
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Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O |
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solid-solution in aqueous environments |
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_database_code_amcsd 0003467 |
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7.4361 8.4808 14.348 90 90 90 Pbca |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr -.3618 .1819 .0814 .012 .011 .012 .013 .002 -.001 -.002 |
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As .1450 .0540 .1125 .010 .011 .011 .009 .000 .000 .000 |
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O1 .2011 .1591 .2128 .019 .027 .016 .012 -.009 .001 -.003 |
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O2 .0758 -.1181 .1564 .015 .022 .012 .011 -.003 .001 .003 |
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O3 .3277 .0424 .0457 .021 .010 .034 .020 -.007 .008 -.010 |
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O4 -.0136 .1592 .0578 .017 .018 .015 .018 .003 -.003 .003 |
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Ow5 .8618 .0940 .6561 .022 .033 .020 .013 .000 .001 .002 |
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H1 .265 .216 .194 .020 |
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H2 .940 .133 .616 .006 |
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H3 .897 .109 .713 .005 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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(Sr.89Ba.11)HAsO4.H2O |
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Jimenez A, Prieto M, Salvado M A, Garcia-Granda S |
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American Mineralogist 89 (2004) 601-609 |
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Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O |
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solid-solution in aqueous environments |
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_database_code_amcsd 0003468 |
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7.443 8.477 14.38 90 90 90 Pbca |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr -.3616 .1820 .0813 .89 .014 .015 .015 .013 .002 -.001 -.002 |
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Ba -.3616 .1820 .0813 .11 .014 .015 .015 .013 .002 -.001 -.002 |
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As .1451 .0539 .1125 .010 .013 .012 .007 .000 .001 .000 |
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O1 .2019 .1587 .2133 .018 .028 .019 .007 -.008 .001 -.004 |
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O2 .0760 -.1172 .1559 .016 .022 .011 .014 -.001 .001 .003 |
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O3 .3270 .0418 .0463 .023 .016 .032 .020 -.009 .007 -.008 |
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O4 -.0124 .1596 .0578 .017 .019 .017 .014 .006 -.004 .001 |
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Ow5 .8616 .0939 .6560 .022 .032 .021 .012 .002 .004 .001 |
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H1 .2720 .2410 .2070 .013 |
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H2 .9630 .1300 .6320 .110 |
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H3 .8710 .0920 .717 .040 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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BaHAsO4.H2O |
| |
Jimenez A, Prieto M, Salvado M A, Garcia-Granda S |
|
American Mineralogist 89 (2004) 601-609 |
|
Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O |
|
solid-solution in aqueous environments |
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_database_code_amcsd 0003469 |
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7.7519 8.759 14.668 90 90 90 Pbca |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba -.3609 .1854 .0822 .010 .010 .011 .008 .001 .000 -.001 |
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As .1513 .0594 .1128 .007 .009 .008 .005 .000 .000 .000 |
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O1 .2140 .1582 .2112 .018 .033 .016 .007 -.006 -.001 -.002 |
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O2 .0906 -.1104 .1539 .013 .018 .009 .012 -.006 -.003 .002 |
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O3 .3166 .0544 .0413 .017 .010 .027 .015 -.004 .007 -.008 |
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O4 -.0094 .1609 .0660 .014 .013 .013 .016 .004 .000 .006 |
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Ow5 .8798 .0951 .6626 .016 .026 .014 .007 -.001 .000 .002 |
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H1 .1687 .2429 .2116 .090 |
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H2 -.5369 .3492 .3728 .090 |
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H3 -.5413 .4220 .2824 .090 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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